N-ethoxycarbonyl-N-phenyl-7-amino-4,5,6,7-tetrahydrobenzo[b]thiophene-6-nitrile | 174822-49-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: N-ethoxycarbonyl-N-phenyl-7-amino-4,5,6,7-tetrahydrobenzo[b]thiophene-6-nitrile
• 英文别名: ethyl N-(6-cyano-4,5,6,7-tetrahydro-1-benzothiophen-7-yl)-N-phenylcarbamate
• CAS: 174822-49-2
• 化学式: C₁₈H₁₈N₂O₂S
• 分子量: 326.419
• InChiKey: WKJILBXJFJRPEL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  23
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  81.6
• 氢给体数：
  0
• 氢受体数：
  4

文献信息

• 1-Amino-2-cyclohexene derivatives and production process therefor
  申请人：KURARAY CO., LTD.

  公开号：EP0690054A1

  公开（公告）日：1996-01-03

  1-amino-2-cyclohexene derivative represented by the following general formula (I): where A represents a bivalent organic group which may contain 1 to 3 oxygen atoms, nitrogen atoms and/or sulfur atoms, in which A may form a 5-membered ring, 6-membered ring, 7-membered ring or 8-membered ring together with two carbon atoms to be bonded, and the ring may form a condensed ring with one or plurality of other rings; R¹ represents a hydrogen atom, an alkyl group, an alkenyl group, an aryl group or an aralkyl group, R² represents a hydrogen atom, an alkyl group, an alkenyl group, an aryl group, an aralkyl group, a cyano group or a group represented by the formula: -COR²¹, R²¹ represents a hydrogen atom, an alkyl group, an alkenyl group, an aryl group, an aralkyl group, an alkoxyl group, an alkenyloxyl group, an aryloxyl group, an aralkyloxyl group or an amino group which may have a substituent, R³ represents a cyano group, a nitro group or a group represented by the formula: -COR³¹, R³¹ represents a hydrogen atom, an alkyl group, an alkenyl group, an aryl group, an aralkyl group, an alkoxyl group, an alkenyloxyl group, an aryloxyl group, an aralkyloxyl group or an amino group which may have a substituent, R⁴ represents an alkyl group, an alkenyl group, an aryl group or an aralkyl group, R⁵ represents a hydrogen atom, an alkyl group, an alkenyl group, an aryl group, an aralkyl group, an alkoxyl group, an alkenyloxyl group, an aryloxyl group, an aralkyloxyl group or an amino group which may have a substituent, in which R² and R³¹ may join together to form a bivalent organic group possibly containing an oxygen atom or a nitrogen atom.

  由以下通式 (I) 代表的 1-氨基-2-环己烯衍生物： 其中 A 代表二价有机基团，可含有 1 至 3 个氧原子、氮原子和/或硫原子，其中 A 可与两个待键合的碳原子形成 5 元环、6 元环、7 元环或 8 元环，该环可与一个或多个其他环形成缩合环；R¹ 代表氢原子、烷基、烯基、芳基或芳烷基，R² 代表氢原子、烷基、烯基、芳基、芳烷基、氰基或由式表示的基团：-R²¹代表氢原子、烷基、烯基、芳基、芳烷基、烷氧基、烯酰氧基、芳酰氧基、芳烷氧基或可带有取代基的氨基，R³代表氰基、硝基或由式表示的基团：-R³¹代表氢原子、烷基、烯基、芳基、芳烷基、烷氧基、烯酰氧基、芳酰氧基、芳烷氧基或可带有取代基的氨基，R⁴代表烷基、烯基、芳基或芳烷基，R⁵代表氢原子、烷基、烯基、芳基、芳烷基、烷氧基、烯酰氧基、芳酰氧基、芳烷氧基或可能具有取代基的氨基，其中 R² 和 R³¹ 可连接在一起形成可能含有氧原子或氮原子的二价有机基团。
• US5587486A
  申请人：——

  公开号：US5587486A

  公开（公告）日：1996-12-24